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5202-86-8

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Basic Information
CAS No.: 5202-86-8
Name: 4-CHLORO-2-METHYLACETANILIDE
Article Data: 26
Molecular Structure:
Molecular Structure of 5202-86-8 (4-CHLORO-2-METHYLACETANILIDE)
Formula: C9H10ClNO
Molecular Weight: 183.637
Synonyms: o-Acetotoluidide,4'-chloro- (6CI,7CI,8CI);4-Chloro-2-methylacetanilide;
EINECS: 225-991-9
Density: 1.218 g/cm3
Melting Point: 136 °C
Boiling Point: 324.3 °C at 760 mmHg
Flash Point: 149.9 °C
Hazard Symbols: R22:Harmful if swallowed.;
Risk Codes: R22
PSA: 29.10000
LogP: 2.67980
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Specification

The Acetamide,N-(4-chloro-2-methylphenyl)-, with CAS registry number 5202-86-8, has the systematic name of N-(4-chloro-2-methylphenyl)acetamide. Besides this, it is also called 4-Chloro-2-methylacetanilide. And the chemical formula of this chemical is C9H10ClNO. What's more, its EINECS is 225-991-9.

Physical properties of Acetamide,N-(4-chloro-2-methylphenyl)-: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.61; (6)ACD/BCF (pH 7.4): 47.61; (7)ACD/KOC (pH 5.5): 552.68; (8)ACD/KOC (pH 7.4): 552.69; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 50.24 cm3; (15)Molar Volume: 150.7 cm3; (16)Polarizability: 19.91×10-24cm3; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.218 g/cm3; (19)Flash Point: 149.9 °C; (20)Enthalpy of Vaporization: 56.63 kJ/mol; (21)Boiling Point: 324.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000248 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid-(4-chloro-2-methyl-anilide). This reaction will need reagents glacial acetic acid, chlorine.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(NC(=O)C)cc1)C
(2)InChI: InChI=1/C9H10ClNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
(3)InChIKey: WMHHXYOPEQARIN-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H10ClNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
(5)Std. InChIKey: WMHHXYOPEQARIN-UHFFFAOYSA-N